2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride

C11H15Cl2NO — CID 3066042

IUPAC2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride
SMILESCC1(c2ccc(Cl)cc2)CNCCO1.Cl
InChIInChI=1S/C11H14ClNO.ClH/c1-11(8-13-6-7-14-11)9-2-4-10(12)5-3-9;/h2-5,13H,6-8H2,1H3;1H
InChIKeyHSJCAAPDEIAQIX-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.60
Rot. Bonds1

About 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride

2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride (PubChem CID 3066042) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride
PubChem CID3066042
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride
SMILESCC1(c2ccc(Cl)cc2)CNCCO1.Cl
InChIInChI=1S/C11H14ClNO.ClH/c1-11(8-13-6-7-14-11)9-2-4-10(12)5-3-9;/h2-5,13H,6-8H2,1H3;1H
InChIKeyHSJCAAPDEIAQIX-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride (CID 3066042) is 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride is CC1(c2ccc(Cl)cc2)CNCCO1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride?
The InChIKey is HSJCAAPDEIAQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c1-11(8-13-6-7-14-11)9-2-4-10(12)5-3-9;/h2-5,13H,6-8H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride?
2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methylmorpholine;hydrochloride is sourced from PubChem (CID 3066042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).